Disabling Specific Error Handlers for subworkflows

[becca9835]

Is there an easy way to disable specific error handlers (i.e. frozen error) only for specific subworkflows? (Example, band gap workflow where only the final step is HSE, and therefore want to remove that error handler for that step only). From the docs I am guessing this will be put under subworkflow_kwargs but unsure if there is already a set way to do this?

[jacksund]

Not in a yaml file, no. But you can create a new workflow in python and select which error handlers you'd like.

I didn't include this option in yaml files for the same reason there isn't a custom_incar_settings input parameter: we'd like everything in the database to match and be reproducible. I might have to cave on this rule eventually though (plus the custom_incar_settings) since a lot of people want it.

For now, create a new workflow and you can update the error_handlers to whatever you'd like. Here is an example workflow where I inherited all error handlers except for a select few. The key part of the code is this snippet:

simmate/src/simmate/apps/vasp/workflows/diffusion/mit/from_images.py

Lines 35 to 41 in 57f73d3

	# Because of NEB's unique folder structure, many error handlers are broken
	# and cannot be used. We go through the list that is broken and remove them
	error_handlers = [
	handler
	for handler in Relaxation__Vasp__Mit.error_handlers
	if type(handler) not in [Walltime, Unconverged, Frozen]
	]